Molecule

ID:110093

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄OS
Molecular Mass
158.26116
Exact Mass
158.07653607
Charge
0
InChI
InChI=1S/C8H14OS/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChIKey
JSEGXJBSYHWMMY-UHFFFAOYSA-N
Canonic Smiles
CC(=O)SC1CCCCC1
Isomeric Smiles
CC(=O)SC1CCCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2688925
LogD (pH = 7.4)
2.2688925
Log P
2.2688925
Molar Refractivity
44.8211
Polarizability
17.910114
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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